2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine

C15H16BrNO2 — CID 79260511

IUPAC2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
SMILESCOc1cccc(CBr)c1OCc1cccc(C)n1
InChIInChI=1S/C15H16BrNO2/c1-11-5-3-7-13(17-11)10-19-15-12(9-16)6-4-8-14(15)18-2/h3-8H,9-10H2,1-2H3
InChIKeyUPAVWQDGMRFVET-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.87
Rot. Bonds5

About 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine

2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine (PubChem CID 79260511) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
PubChem CID79260511
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
SMILESCOc1cccc(CBr)c1OCc1cccc(C)n1
InChIInChI=1S/C15H16BrNO2/c1-11-5-3-7-13(17-11)10-19-15-12(9-16)6-4-8-14(15)18-2/h3-8H,9-10H2,1-2H3
InChIKeyUPAVWQDGMRFVET-UHFFFAOYSA-N
XLogP3.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267114
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 113454492
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine
CID 112614202
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 104666335
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
5-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641131
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
The IUPAC name of 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine (CID 79260511) is 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine is COc1cccc(CBr)c1OCc1cccc(C)n1.
What is the InChIKey of 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
The InChIKey is UPAVWQDGMRFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11-5-3-7-13(17-11)10-19-15-12(9-16)6-4-8-14(15)18-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine has a molecular weight of 322.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine is sourced from PubChem (CID 79260511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).